==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/PROTEIN BINDING 22-APR-13 4KA3 . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR F.J.XIN,J.W.WU . 348 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17392.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 216 62.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 21 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 28.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 1 1 1 1 0 1 0 1 0 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 1 2 0 1 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 4 A E 0 0 232 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -18.7 7.4 -27.6 -22.4 2 5 A R - 0 0 80 1,-0.1 3,-0.1 89,-0.0 89,-0.0 -0.586 360.0-138.0 -77.9 124.7 7.1 -24.9 -19.6 3 6 A P - 0 0 60 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.048 25.3 -89.4 -75.7 175.9 5.6 -26.2 -16.3 4 7 A T - 0 0 88 2,-0.0 15,-2.0 1,-0.0 16,-0.3 -0.718 46.3-151.9 -84.1 137.1 3.1 -24.6 -14.0 5 8 A F E -A 18 0A 28 -2,-0.4 2,-0.3 13,-0.3 11,-0.1 -0.683 10.3-163.4-105.5 163.2 4.8 -22.5 -11.4 6 9 A Y E -A 17 0A 61 11,-2.4 11,-2.2 -2,-0.2 2,-0.3 -0.989 8.9-144.0-145.5 143.4 3.8 -21.6 -7.8 7 10 A R E +A 16 0A 152 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.774 22.5 159.9-108.5 151.1 5.0 -18.8 -5.5 8 11 A Q E -A 15 0A 55 7,-1.5 7,-2.6 -2,-0.3 2,-0.6 -0.960 34.6-116.4-155.4 166.1 5.5 -18.7 -1.8 9 12 A E E +A 14 0A 108 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.946 33.1 166.5-117.1 115.3 7.4 -16.6 0.8 10 13 A L E > S-A 13 0A 24 3,-1.8 3,-0.6 -2,-0.6 -2,-0.1 -0.995 71.9 -5.7-127.6 128.5 10.1 -18.2 2.9 11 14 A N T 3 S- 0 0 113 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.866 127.3 -59.6 60.0 41.5 12.6 -16.2 5.0 12 15 A K T 3 S+ 0 0 181 1,-0.1 2,-0.4 -3,-0.1 -1,-0.2 0.803 116.2 108.7 54.0 34.1 11.3 -12.9 3.5 13 16 A T E < -A 10 0A 37 -3,-0.6 -3,-1.8 2,-0.0 2,-0.3 -0.961 66.5-130.6-139.1 126.0 12.2 -14.0 -0.1 14 17 A I E -A 9 0A 61 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.542 22.3-166.5 -70.0 128.1 9.6 -14.9 -2.8 15 18 A W E -A 8 0A 4 -7,-2.6 -7,-1.5 -2,-0.3 2,-0.6 -0.969 7.4-169.1-117.0 132.4 10.3 -18.2 -4.6 16 19 A E E +A 7 0A 49 -2,-0.4 -9,-0.2 -9,-0.2 -11,-0.0 -0.956 24.1 159.0-120.5 110.6 8.5 -19.0 -7.8 17 20 A V E -A 6 0A 0 -11,-2.2 -11,-2.4 -2,-0.6 -2,-0.0 -0.903 45.5 -91.4-130.4 158.0 9.2 -22.7 -8.8 18 21 A P E > -A 5 0A 4 0, 0.0 3,-2.1 0, 0.0 -13,-0.3 -0.365 42.9-113.5 -62.2 152.2 7.6 -25.4 -10.9 19 22 A E T 3 S+ 0 0 106 -15,-2.0 22,-0.1 1,-0.3 -14,-0.1 0.673 107.5 82.0 -65.5 -17.4 5.1 -27.6 -9.0 20 23 A R T 3 S+ 0 0 45 -16,-0.3 21,-3.3 1,-0.1 2,-0.6 0.694 81.6 73.0 -62.8 -17.2 7.5 -30.5 -9.4 21 24 A Y E < S+B 40 0B 0 -3,-2.1 2,-0.3 19,-0.2 3,-0.2 -0.881 70.8 174.9-106.1 115.9 9.4 -29.1 -6.4 22 25 A Q E +B 39 0B 71 17,-2.6 17,-2.9 -2,-0.6 -2,-0.0 -0.783 47.1 23.4-124.8 156.6 7.5 -29.6 -3.2 23 26 A N E S- 0 0 115 -2,-0.3 -1,-0.2 15,-0.2 2,-0.1 0.945 73.7-160.5 55.5 52.1 8.0 -29.1 0.5 24 27 A L E - 0 0 18 -3,-0.2 14,-0.2 14,-0.1 -1,-0.2 -0.409 7.7-168.0 -61.8 135.1 10.6 -26.5 0.1 25 28 A S E -B 37 0B 68 12,-2.9 12,-3.6 -2,-0.1 2,-0.2 -0.942 25.3-119.3-134.7 115.3 12.6 -26.0 3.3 26 29 A P E +B 36 0B 60 0, 0.0 10,-0.3 0, 0.0 3,-0.1 -0.303 31.5 177.9 -48.5 109.2 15.0 -23.0 3.9 27 30 A V E - 0 0 94 8,-2.7 2,-0.3 1,-0.3 9,-0.2 0.852 57.7 -26.6 -84.0 -42.2 18.5 -24.6 4.3 28 31 A G E -B 35 0B 36 7,-1.5 7,-1.3 2,-0.0 2,-0.6 -0.989 49.0-112.8-170.8 159.9 20.4 -21.4 4.7 29 32 A S E +B 34 0B 100 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.907 38.3 173.4-103.2 119.6 21.0 -17.7 4.1 30 33 A G - 0 0 30 3,-0.9 23,-0.1 -2,-0.6 -2,-0.0 -0.925 38.8-127.7-126.7 153.5 23.9 -16.7 1.9 31 34 A A S S+ 0 0 106 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.810 111.5 41.4 -65.8 -32.8 25.2 -13.5 0.4 32 35 A Y S S- 0 0 95 1,-0.3 21,-2.2 20,-0.1 2,-0.3 0.744 134.1 -29.4 -89.0 -29.1 25.4 -14.8 -3.2 33 36 A G E - C 0 52B 2 19,-0.3 -3,-0.9 21,-0.0 2,-0.4 -0.963 58.0-112.5-170.1 173.8 22.1 -16.8 -3.0 34 37 A S E -BC 29 51B 19 17,-2.0 17,-2.2 -2,-0.3 2,-0.4 -0.993 27.8-146.4-126.8 138.2 19.7 -18.6 -0.6 35 38 A V E -BC 28 50B 39 -7,-1.3 -8,-2.7 -2,-0.4 -7,-1.5 -0.855 10.9-169.8-114.3 130.6 19.1 -22.4 -0.8 36 39 A C E -BC 26 49B 2 13,-2.6 13,-3.3 -2,-0.4 2,-0.4 -0.912 20.0-133.6-110.8 142.2 16.0 -24.4 -0.1 37 40 A A E +BC 25 48B 14 -12,-3.6 -12,-2.9 -2,-0.4 2,-0.3 -0.769 37.2 169.8 -87.5 138.9 15.8 -28.2 0.2 38 41 A A E - C 0 47B 0 9,-2.1 9,-2.6 -2,-0.4 2,-0.6 -0.926 38.5-110.1-143.6 170.3 13.0 -29.6 -1.7 39 42 A F E -BC 22 46B 73 -17,-2.9 -17,-2.6 -2,-0.3 2,-1.0 -0.920 26.4-148.2-104.0 117.2 11.4 -32.8 -2.9 40 43 A D E >> -BC 21 45B 0 5,-2.9 4,-2.4 -2,-0.6 5,-0.9 -0.753 7.6-165.2 -85.9 106.5 11.7 -33.2 -6.6 41 44 A T T 45S+ 0 0 74 -21,-3.3 -1,-0.2 -2,-1.0 -20,-0.1 0.786 84.4 57.9 -63.2 -29.3 8.6 -35.2 -7.6 42 45 A K T 45S+ 0 0 101 -22,-0.4 -1,-0.2 1,-0.2 -21,-0.1 0.950 119.5 26.6 -65.2 -49.2 10.0 -35.9 -11.1 43 46 A T T 45S- 0 0 43 2,-0.2 -2,-0.2 -3,-0.1 -1,-0.2 0.699 99.4-131.0 -88.8 -20.5 13.2 -37.7 -9.8 44 47 A G T <5 + 0 0 38 -4,-2.4 2,-0.3 1,-0.3 -3,-0.2 0.712 69.6 116.0 75.1 20.8 11.7 -38.8 -6.5 45 48 A H E S+ 0 0 179 -2,-0.5 3,-1.3 1,-0.1 -1,-0.2 0.877 74.4 180.0 41.7 55.6 20.5 -10.0 -7.4 55 58 A P T 3 S+ 0 0 4 0, 0.0 10,-0.4 0, 0.0 11,-0.2 0.649 73.8 38.6 -67.1 -14.9 22.3 -11.8 -10.2 56 59 A F T 3 S+ 0 0 23 41,-0.2 -2,-0.1 1,-0.1 269,-0.1 -0.150 77.2 117.5-126.8 40.3 22.4 -8.8 -12.6 57 60 A Q S < S+ 0 0 112 -3,-1.3 2,-0.3 -4,-0.2 -1,-0.1 0.857 84.9 1.7 -79.9 -38.7 23.0 -6.0 -10.2 58 61 A S S > S- 0 0 40 -4,-0.2 4,-2.2 -3,-0.1 5,-0.2 -0.879 81.9 -97.9-137.8 169.8 26.4 -5.0 -11.6 59 62 A I H > S+ 0 0 89 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.945 124.4 54.0 -51.3 -50.0 28.6 -6.0 -14.5 60 63 A I H > S+ 0 0 124 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.892 109.5 45.2 -51.7 -50.8 30.6 -8.1 -12.0 61 64 A H H > S+ 0 0 73 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.874 112.0 51.9 -61.5 -42.5 27.6 -10.0 -10.7 62 65 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.928 113.2 44.6 -61.8 -43.8 26.2 -10.6 -14.2 63 66 A K H X S+ 0 0 39 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.865 113.2 50.7 -70.6 -37.4 29.5 -12.0 -15.3 64 67 A R H X S+ 0 0 89 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.932 111.4 49.4 -58.5 -49.3 29.8 -14.1 -12.0 65 68 A T H X S+ 0 0 9 -4,-3.0 4,-1.9 -10,-0.4 -2,-0.2 0.916 111.6 47.9 -60.1 -46.0 26.3 -15.4 -12.7 66 69 A Y H X S+ 0 0 11 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.910 109.3 54.1 -60.5 -45.5 27.1 -16.3 -16.2 67 70 A R H X S+ 0 0 33 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.848 109.2 47.5 -58.4 -38.2 30.4 -18.0 -15.2 68 71 A E H X S+ 0 0 19 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.890 110.7 50.1 -74.1 -39.1 28.6 -20.3 -12.7 69 72 A L H X S+ 0 0 3 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.909 113.8 46.6 -66.0 -38.6 25.8 -21.3 -15.1 70 73 A R H X S+ 0 0 40 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.966 114.3 46.5 -65.9 -51.9 28.4 -22.2 -17.7 71 74 A L H X S+ 0 0 13 -4,-2.3 4,-1.1 1,-0.2 -2,-0.2 0.878 115.7 45.5 -57.2 -43.8 30.6 -24.1 -15.2 72 75 A L H < S+ 0 0 14 -4,-2.7 11,-0.6 1,-0.2 3,-0.4 0.892 110.7 52.8 -68.7 -41.5 27.7 -26.0 -13.8 73 76 A K H < S+ 0 0 41 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.781 108.9 52.9 -62.6 -27.5 26.2 -26.8 -17.2 74 77 A H H < S+ 0 0 39 -4,-1.6 2,-0.5 -5,-0.1 -1,-0.2 0.800 84.4 99.4 -80.9 -26.0 29.6 -28.2 -18.2 75 78 A M < + 0 0 3 -4,-1.1 8,-0.4 -3,-0.4 2,-0.2 -0.471 35.2 158.1 -74.3 113.2 30.0 -30.6 -15.2 76 79 A K + 0 0 147 -2,-0.5 2,-0.3 6,-0.1 -1,-0.1 -0.604 30.0 111.1-134.2 77.2 29.1 -34.2 -16.1 77 80 A H > - 0 0 21 3,-0.3 3,-1.1 -2,-0.2 57,-0.1 -0.983 65.6-127.2-145.6 148.5 30.8 -36.6 -13.6 78 81 A E T 3 S+ 0 0 117 -2,-0.3 4,-0.1 1,-0.2 56,-0.1 0.747 112.0 49.0 -67.6 -25.9 29.7 -38.9 -10.8 79 82 A N T 3 S+ 0 0 5 83,-0.1 84,-2.4 54,-0.1 2,-0.3 0.275 107.9 62.8 -99.5 11.5 32.1 -37.3 -8.4 80 83 A V B < S-f 163 0C 1 -3,-1.1 -3,-0.3 82,-0.3 2,-0.2 -0.928 95.1 -91.6-132.5 152.9 31.2 -33.7 -9.2 81 84 A I - 0 0 14 82,-2.0 2,-0.3 -2,-0.3 -6,-0.1 -0.484 40.2-151.5 -69.8 134.7 27.9 -31.8 -8.8 82 85 A G - 0 0 30 -2,-0.2 2,-1.0 -4,-0.1 22,-0.4 -0.698 20.1-115.0-101.8 154.8 25.6 -31.9 -11.7 83 86 A L - 0 0 10 -11,-0.6 20,-0.2 -8,-0.4 3,-0.1 -0.818 31.1-177.9 -86.6 102.6 23.1 -29.3 -12.7 84 87 A L - 0 0 32 18,-2.2 2,-0.3 -2,-1.0 19,-0.2 0.906 66.8 -19.1 -62.8 -45.5 19.8 -31.2 -12.3 85 88 A D E -E 102 0B 22 17,-1.2 17,-3.2 -3,-0.1 2,-0.3 -0.975 53.0-162.1-161.8 146.9 17.7 -28.3 -13.6 86 89 A V E +E 101 0B 8 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.992 25.5 163.1-134.2 141.3 18.0 -24.5 -14.0 87 90 A F E -E 100 0B 14 13,-2.0 13,-2.4 -2,-0.3 3,-0.1 -0.982 28.5-156.5-152.4 162.8 14.9 -22.3 -14.5 88 91 A T - 0 0 14 -2,-0.3 11,-0.1 2,-0.2 8,-0.1 -0.990 23.5-138.3-137.3 141.9 13.4 -18.8 -14.5 89 92 A P S S+ 0 0 15 0, 0.0 -1,-0.1 0, 0.0 7,-0.1 0.810 75.9 110.7 -63.4 -27.5 9.7 -18.0 -13.9 90 93 A A - 0 0 14 8,-0.3 -2,-0.2 1,-0.1 6,-0.1 -0.102 55.5-162.1 -54.7 141.2 10.3 -15.5 -16.7 91 94 A R S S+ 0 0 176 1,-0.0 2,-0.3 -89,-0.0 -1,-0.1 0.547 75.2 20.2-101.4 -13.9 8.6 -16.1 -20.1 92 95 A S S > S- 0 0 30 1,-0.1 4,-0.6 0, 0.0 -1,-0.0 -0.882 83.3-103.0-143.0-180.0 10.8 -13.7 -22.0 93 96 A L T 4 S+ 0 0 53 -2,-0.3 236,-0.1 2,-0.2 -3,-0.1 0.819 115.0 57.8 -77.7 -29.0 14.2 -12.0 -21.8 94 97 A E T 4 S+ 0 0 156 1,-0.2 -1,-0.2 3,-0.0 -4,-0.0 0.904 113.5 38.4 -69.2 -38.9 12.7 -8.6 -20.8 95 98 A E T 4 S+ 0 0 111 -6,-0.0 2,-0.3 2,-0.0 -1,-0.2 0.519 89.6 117.9 -89.1 -8.1 11.0 -10.0 -17.8 96 99 A F < + 0 0 0 -4,-0.6 3,-0.1 1,-0.2 233,-0.1 -0.442 23.4 129.3 -57.1 119.4 13.9 -12.3 -17.0 97 100 A N + 0 0 92 1,-0.3 2,-0.3 -2,-0.3 -41,-0.2 0.454 52.1 60.8-146.1 -23.1 15.3 -11.3 -13.6 98 101 A D - 0 0 55 -3,-0.2 2,-0.4 -44,-0.1 -1,-0.3 -0.877 53.5-164.0-121.5 147.7 15.7 -14.4 -11.4 99 102 A V - 0 0 2 -47,-0.5 -47,-2.6 -2,-0.3 2,-0.4 -0.984 3.2-171.1-132.5 125.3 17.7 -17.6 -11.7 100 103 A Y E -DE 51 87B 2 -13,-2.4 -13,-2.0 -2,-0.4 2,-0.4 -0.930 5.9-159.4-115.4 140.0 17.3 -20.9 -9.8 101 104 A L E -DE 50 86B 6 -51,-2.0 -51,-2.9 -2,-0.4 2,-0.5 -0.919 3.5-155.2-114.5 137.9 19.6 -23.9 -9.8 102 105 A V E +DE 49 85B 0 -17,-3.2 -18,-2.2 -2,-0.4 -17,-1.2 -0.959 19.6 166.9-116.8 129.9 18.8 -27.5 -8.9 103 106 A T E -D 48 0B 32 -55,-2.2 -55,-3.1 -2,-0.5 2,-0.1 -0.915 39.4 -89.5-135.9 159.8 21.4 -29.9 -7.7 104 107 A H E -D 47 0B 67 -22,-0.4 2,-0.7 -2,-0.3 -57,-0.2 -0.440 31.5-135.8 -74.4 141.9 21.3 -33.2 -6.0 105 108 A L + 0 0 70 -59,-1.5 -59,-0.2 -2,-0.1 -1,-0.1 -0.869 20.2 179.6 -99.1 111.0 21.2 -33.6 -2.2 106 109 A M - 0 0 27 -2,-0.7 2,-1.5 2,-0.1 49,-0.1 0.201 39.7-130.2 -87.3 14.4 23.5 -36.3 -0.7 107 110 A G S S+ 0 0 70 47,-0.1 2,-0.4 49,-0.1 49,-0.1 0.050 74.9 53.8 69.9 -31.8 22.4 -35.4 2.9 108 111 A A E -G 155 0C 7 -2,-1.5 47,-3.2 47,-0.6 2,-0.3 -0.991 59.5-150.1-146.5 146.5 25.9 -35.0 4.4 109 112 A D E > -G 154 0C 32 -2,-0.4 4,-1.7 45,-0.3 3,-0.5 -0.724 39.1-104.0-109.9 162.0 29.2 -33.3 4.1 110 113 A L H > S+ 0 0 0 43,-2.2 4,-2.5 40,-1.0 5,-0.3 0.818 118.0 56.4 -56.1 -39.3 32.6 -34.6 5.1 111 114 A N H > S+ 0 0 60 39,-0.5 4,-1.3 1,-0.2 -1,-0.2 0.929 110.6 44.5 -55.2 -49.8 32.8 -32.4 8.2 112 115 A N H > S+ 0 0 64 -3,-0.5 4,-0.8 2,-0.2 -1,-0.2 0.754 110.4 56.1 -65.5 -30.1 29.6 -33.8 9.5 113 116 A I H >X S+ 0 0 0 -4,-1.7 3,-1.1 1,-0.2 4,-0.7 0.965 109.2 44.0 -69.4 -51.6 30.6 -37.3 8.6 114 117 A V H 3< S+ 0 0 70 -4,-2.5 3,-0.4 1,-0.2 -2,-0.2 0.793 104.5 69.7 -58.2 -29.3 33.8 -37.2 10.7 115 118 A K H 3< S+ 0 0 151 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.819 110.3 27.1 -62.7 -31.7 31.7 -35.6 13.4 116 119 A C H << S+ 0 0 67 -3,-1.1 2,-0.3 -4,-0.8 -1,-0.2 0.289 123.0 25.1-124.3 12.5 29.8 -38.7 14.2 117 120 A Q S < S- 0 0 42 -4,-0.7 2,-0.4 -3,-0.4 -1,-0.1 -0.977 70.4-112.2-160.1 165.2 32.0 -41.7 13.3 118 121 A K - 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0 0 32 -2,-0.3 -9,-0.1 1,-0.1 -10,-0.0 -0.501 30.6-150.5 -69.2 133.7 43.7 -30.3 11.1 209 222 A L S S+ 0 0 37 -11,-0.3 -1,-0.1 1,-0.3 -34,-0.1 0.947 87.8 19.1 -75.0 -50.0 47.1 -30.3 9.7 210 223 A F + 0 0 5 -36,-0.4 2,-2.0 -12,-0.1 -1,-0.3 -0.613 69.8 169.0-121.3 71.3 47.7 -26.6 9.3 211 224 A P + 0 0 61 0, 0.0 -37,-0.1 0, 0.0 -3,-0.0 -0.345 20.1 171.1 -84.0 60.9 45.2 -24.9 11.6 212 225 A G - 0 0 3 -2,-2.0 -38,-0.1 1,-0.1 3,-0.1 -0.213 33.5-149.8 -66.0 158.2 46.7 -21.4 11.4 213 226 A T S S+ 0 0 111 1,-0.2 2,-0.3 -40,-0.1 -1,-0.1 0.747 80.4 10.6 -98.0 -34.3 45.0 -18.3 12.9 214 227 A D S > S- 0 0 78 1,-0.1 4,-2.8 -41,-0.0 5,-0.2 -0.877 86.9 -96.1-135.5 176.1 46.4 -15.8 10.4 215 228 A H H > S+ 0 0 81 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.884 123.4 46.3 -60.5 -39.2 48.3 -16.0 7.1 216 229 A I H > S+ 0 0 66 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.928 112.4 49.6 -70.5 -46.2 51.7 -15.6 8.7 217 230 A D H > S+ 0 0 56 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.932 116.5 43.5 -54.5 -45.9 50.9 -18.1 11.5 218 231 A Q H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 5,-0.2 0.915 109.3 53.2 -73.8 -42.6 49.8 -20.6 8.9 219 232 A L H X S+ 0 0 1 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.933 109.8 51.0 -55.6 -44.9 52.5 -20.0 6.3 220 233 A K H X S+ 0 0 116 -4,-2.4 4,-1.0 1,-0.2 -1,-0.2 0.845 108.8 52.4 -60.6 -33.5 55.0 -20.7 9.2 221 234 A L H X S+ 0 0 35 -4,-1.4 4,-0.7 -5,-0.2 -1,-0.2 0.862 110.3 46.8 -70.4 -36.7 53.2 -23.9 10.0 222 235 A I H >X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 3,-0.7 0.882 109.8 53.7 -71.9 -37.3 53.3 -25.1 6.4 223 236 A L H 3X S+ 0 0 6 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.710 97.6 63.6 -76.6 -18.8 57.0 -24.3 6.1 224 237 A R H 3< S+ 0 0 149 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.818 113.1 36.9 -71.6 -27.5 58.0 -26.3 9.2 225 238 A L H << S+ 0 0 13 -4,-0.7 30,-3.7 -3,-0.7 -2,-0.2 0.951 129.6 26.9 -82.8 -60.9 56.7 -29.4 7.4 226 239 A V H < S- 0 0 10 -4,-2.3 28,-0.4 28,-0.3 52,-0.3 0.385 106.9-122.7 -90.6 3.5 57.8 -28.8 3.8 227 240 A G < - 0 0 1 -4,-1.2 -1,-0.2 26,-0.4 -2,-0.1 0.097 38.8 -54.9 77.1 166.2 60.7 -26.5 4.4 228 241 A T - 0 0 18 24,-1.7 26,-0.1 1,-0.1 2,-0.1 -0.493 70.0 -84.8 -79.2 151.0 61.4 -23.0 3.1 229 242 A P - 0 0 9 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.336 45.5-133.3 -58.1 127.4 61.4 -22.3 -0.6 230 243 A G >> - 0 0 39 -2,-0.1 4,-1.8 -3,-0.1 3,-0.8 -0.217 32.9 -90.3 -76.9 171.8 64.7 -23.1 -2.4 231 244 A A H 3> S+ 0 0 76 1,-0.3 4,-1.3 2,-0.2 -1,-0.1 0.845 125.4 55.3 -53.4 -39.9 66.3 -20.7 -4.8 232 245 A E H 3> S+ 0 0 113 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.853 108.9 48.5 -62.6 -36.5 64.5 -22.3 -7.9 233 246 A L H X> S+ 0 0 20 -3,-0.8 3,-1.0 1,-0.2 4,-0.8 0.884 103.5 60.7 -70.5 -40.4 61.2 -21.7 -6.3 234 247 A L H >< S+ 0 0 32 -4,-1.8 3,-0.9 1,-0.2 -1,-0.2 0.853 95.5 62.0 -56.1 -39.3 62.0 -18.1 -5.4 235 248 A K H 3< S+ 0 0 163 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.811 97.4 57.8 -59.0 -34.0 62.5 -17.1 -9.0 236 249 A K H << S+ 0 0 67 -3,-1.0 2,-0.6 -4,-0.6 -1,-0.3 0.773 83.0 94.2 -72.6 -27.9 58.9 -17.9 -9.9 237 250 A I << - 0 0 2 -3,-0.9 -52,-0.2 -4,-0.8 6,-0.1 -0.565 59.6-166.0 -67.9 114.1 57.5 -15.5 -7.3 238 251 A S + 0 0 108 -54,-0.8 2,-0.7 -2,-0.6 -1,-0.2 0.622 64.1 83.6 -81.2 -15.5 56.9 -12.3 -9.2 239 252 A S > - 0 0 54 -55,-0.5 4,-2.1 1,-0.2 3,-0.2 -0.817 59.9-162.7 -93.3 117.9 56.5 -10.0 -6.2 240 253 A E H > S+ 0 0 119 -2,-0.7 4,-3.2 1,-0.2 5,-0.3 0.805 91.5 60.8 -66.0 -27.3 59.8 -8.8 -4.8 241 254 A S H > S+ 0 0 91 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.924 107.0 44.5 -65.0 -43.6 58.0 -7.9 -1.6 242 255 A A H > S+ 0 0 11 2,-0.2 4,-2.3 -3,-0.2 -2,-0.2 0.907 114.2 50.5 -65.2 -42.7 57.0 -11.5 -1.1 243 256 A R H X S+ 0 0 73 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.959 109.9 47.7 -62.7 -54.0 60.5 -12.6 -2.0 244 257 A N H X S+ 0 0 86 -4,-3.2 4,-0.7 1,-0.3 -1,-0.2 0.851 112.6 52.6 -52.6 -36.8 62.3 -10.3 0.4 245 258 A Y H >< S+ 0 0 70 -4,-1.7 3,-0.7 -5,-0.3 4,-0.4 0.908 108.5 49.0 -65.8 -42.7 59.8 -11.5 3.0 246 259 A I H >< S+ 0 0 7 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.891 106.7 54.6 -66.2 -39.2 60.7 -15.1 2.3 247 260 A Q H 3< S+ 0 0 117 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.675 98.9 64.0 -70.2 -16.1 64.4 -14.6 2.5 248 261 A S T << S+ 0 0 85 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.638 86.2 99.4 -79.8 -16.2 64.0 -13.0 5.9 249 262 A L S < S- 0 0 35 -3,-1.4 2,-0.3 -4,-0.4 3,-0.0 -0.403 90.1-100.1 -73.2 145.0 62.7 -16.4 7.2 250 263 A A - 0 0 72 -2,-0.1 -1,-0.1 1,-0.1 -2,-0.1 -0.520 48.9-112.3 -59.0 122.8 64.9 -18.8 9.1 251 264 A Q - 0 0 148 -2,-0.3 -1,-0.1 -4,-0.1 -24,-0.0 -0.334 42.7-169.9 -61.3 142.1 65.9 -21.4 6.4 252 265 A M - 0 0 62 -3,-0.0 -24,-1.7 -26,-0.0 2,-0.3 -0.994 19.5-129.6-143.9 142.1 64.3 -24.8 7.0 253 266 A P - 0 0 97 0, 0.0 -26,-0.4 0, 0.0 2,-0.0 -0.655 37.4-100.8 -88.2 143.3 64.6 -28.4 5.7 254 267 A K - 0 0 106 -28,-0.4 -28,-0.3 -2,-0.3 -29,-0.1 -0.348 45.9-126.6 -49.0 135.3 61.6 -30.4 4.6 255 268 A M - 0 0 90 -30,-3.7 2,-0.8 -31,-0.1 -1,-0.1 -0.401 21.6 -97.3 -85.7 170.5 60.7 -32.8 7.5 256 269 A N >> - 0 0 82 1,-0.2 3,-0.9 -2,-0.1 4,-0.7 -0.809 28.5-158.2 -91.6 113.2 60.3 -36.5 7.3 257 270 A F H >> S+ 0 0 0 -2,-0.8 3,-1.7 1,-0.2 4,-1.4 0.867 85.7 66.1 -58.5 -44.3 56.6 -37.3 7.0 258 271 A A H 34 S+ 0 0 50 1,-0.3 -1,-0.2 2,-0.2 6,-0.2 0.826 101.3 50.4 -51.3 -35.4 56.9 -40.9 8.3 259 272 A N H <4 S+ 0 0 109 -3,-0.9 3,-0.4 1,-0.2 -1,-0.3 0.769 110.9 50.7 -70.7 -24.6 57.9 -39.5 11.7 260 273 A V H << S+ 0 0 54 -3,-1.7 -2,-0.2 -4,-0.7 -1,-0.2 0.669 118.8 34.2 -86.9 -19.3 54.8 -37.2 11.5 261 274 A F S >< S+ 0 0 10 -4,-1.4 3,-2.1 -3,-0.1 -1,-0.2 -0.214 75.4 170.0-132.2 42.2 52.3 -39.9 10.6 262 275 A I T 3 S+ 0 0 144 -3,-0.4 3,-0.1 1,-0.3 -3,-0.1 -0.381 71.0 25.4 -60.0 128.0 53.5 -43.0 12.5 263 276 A G T 3 S+ 0 0 81 1,-0.5 -1,-0.3 -2,-0.1 2,-0.2 0.309 93.2 114.9 100.0 -7.9 50.8 -45.7 12.3 264 277 A A S < S- 0 0 26 -3,-2.1 -1,-0.5 -6,-0.2 -3,-0.1 -0.585 87.6 -77.2 -84.6 155.4 49.1 -44.5 9.1 265 278 A N > - 0 0 41 -2,-0.2 4,-2.3 1,-0.2 5,-0.2 -0.368 40.2-136.2 -50.3 121.0 49.3 -46.7 6.0 266 279 A P H > S+ 0 0 98 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.823 107.3 55.1 -51.8 -34.4 52.9 -46.2 4.6 267 280 A L H > S+ 0 0 69 2,-0.2 4,-2.6 1,-0.2 27,-0.2 0.919 106.0 49.7 -64.0 -47.8 51.3 -45.9 1.2 268 281 A A H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.915 113.1 46.3 -55.8 -46.2 49.0 -43.1 2.4 269 282 A V H X S+ 0 0 10 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.906 110.8 53.7 -62.2 -43.0 52.0 -41.3 3.9 270 283 A D H X S+ 0 0 64 -4,-2.5 4,-1.1 -5,-0.2 -2,-0.2 0.902 111.6 44.9 -58.0 -43.4 53.9 -41.9 0.6 271 284 A L H X S+ 0 0 0 -4,-2.6 4,-1.1 2,-0.2 3,-0.5 0.918 110.3 53.1 -69.8 -44.8 51.0 -40.3 -1.3 272 285 A L H >X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 3,-0.7 0.889 104.9 57.1 -54.3 -42.0 50.7 -37.4 1.2 273 286 A E H 3< S+ 0 0 47 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.871 108.4 47.5 -52.3 -40.8 54.4 -36.8 0.6 274 287 A K H 3< S+ 0 0 73 -4,-1.1 10,-2.3 -3,-0.5 3,-0.3 0.649 114.8 44.2 -82.0 -18.1 53.7 -36.5 -3.1 275 288 A M H << S+ 0 0 0 -4,-1.1 2,-0.7 -3,-0.7 -2,-0.2 0.804 108.0 57.3 -94.1 -36.1 50.8 -34.1 -2.6 276 289 A L S < S+ 0 0 1 -4,-2.9 2,-0.4 -5,-0.2 -1,-0.2 -0.352 71.4 139.2 -94.7 49.9 52.3 -31.9 -0.0 277 290 A V - 0 0 43 -2,-0.7 6,-0.1 -3,-0.3 5,-0.1 -0.818 52.1-138.4 -91.8 135.0 55.3 -30.9 -2.1 278 291 A L S S+ 0 0 22 -2,-0.4 2,-0.5 -52,-0.3 -99,-0.2 0.947 88.2 68.6 -60.7 -54.6 56.1 -27.2 -1.7 279 292 A D S > S- 0 0 16 1,-0.2 3,-2.0 -3,-0.1 4,-0.3 -0.583 77.1-148.8 -68.6 115.9 56.9 -26.4 -5.3 280 293 A S G > S+ 0 0 8 -2,-0.5 3,-1.1 1,-0.3 -1,-0.2 0.778 93.5 65.1 -59.0 -28.3 53.5 -26.8 -7.1 281 294 A D G 3 S+ 0 0 107 1,-0.2 -1,-0.3 -3,-0.0 -2,-0.1 0.639 103.1 47.6 -72.9 -10.8 55.3 -28.0 -10.3 282 295 A K G < S+ 0 0 124 -3,-2.0 -1,-0.2 -5,-0.1 2,-0.2 0.362 84.6 113.4-111.8 3.5 56.5 -31.1 -8.4 283 296 A R S < S- 0 0 8 -3,-1.1 -8,-0.2 -4,-0.3 -9,-0.1 -0.552 75.8-105.6 -72.6 141.1 53.1 -32.0 -6.9 284 297 A I - 0 0 20 -10,-2.3 2,-0.2 -2,-0.2 -1,-0.1 -0.199 37.1-122.1 -60.5 152.4 51.6 -35.3 -8.1 285 298 A T > - 0 0 39 1,-0.1 4,-4.4 -3,-0.1 5,-0.2 -0.628 17.1-113.2 -98.8 163.3 48.6 -34.9 -10.5 286 299 A A H > S+ 0 0 2 2,-0.2 4,-2.5 -2,-0.2 -150,-0.2 0.949 122.4 48.1 -52.9 -51.6 45.1 -36.2 -10.1 287 300 A A H > S+ 0 0 49 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.929 116.6 42.7 -55.0 -48.5 45.8 -38.4 -13.1 288 301 A Q H >4 S+ 0 0 111 1,-0.2 3,-1.7 2,-0.2 4,-0.3 0.965 112.8 52.3 -62.5 -53.8 49.1 -39.6 -11.6 289 302 A A H >< S+ 0 0 0 -4,-4.4 3,-1.9 1,-0.3 6,-0.2 0.823 98.8 65.0 -52.0 -39.7 47.7 -39.9 -8.0 290 303 A L H 3< S+ 0 0 0 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.799 101.3 51.0 -55.4 -29.2 44.8 -42.1 -9.2 291 304 A A T << S+ 0 0 62 -3,-1.7 -1,-0.3 -4,-0.6 -2,-0.2 0.492 82.8 123.7 -88.9 -6.1 47.4 -44.8 -10.2 292 305 A H S X S- 0 0 22 -3,-1.9 3,-2.2 -4,-0.3 7,-0.2 -0.221 74.5-117.8 -58.2 145.1 49.2 -44.8 -6.9 293 306 A A G > S+ 0 0 62 1,-0.3 3,-2.1 2,-0.2 4,-0.2 0.769 109.3 75.2 -55.4 -27.6 49.4 -48.1 -5.1 294 307 A Y G 3 S+ 0 0 4 1,-0.3 -1,-0.3 -27,-0.2 3,-0.3 0.814 101.0 41.4 -54.9 -30.9 47.3 -46.7 -2.3 295 308 A F G X> S+ 0 0 0 -3,-2.2 4,-2.6 -6,-0.2 3,-2.4 0.111 74.4 129.3-105.8 20.7 44.3 -47.0 -4.5 296 309 A A T <4 S+ 0 0 78 -3,-2.1 -1,-0.2 1,-0.3 -2,-0.1 0.817 72.7 50.8 -46.0 -37.4 45.1 -50.4 -6.0 297 310 A Q T 34 S+ 0 0 120 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.520 119.8 31.8 -86.5 -4.0 41.6 -51.7 -5.2 298 311 A Y T <4 S+ 0 0 52 -3,-2.4 2,-0.2 -8,-0.1 -2,-0.2 0.613 88.1 112.1-118.7 -25.7 39.6 -48.9 -6.8 299 312 A H < + 0 0 61 -4,-2.6 5,-0.1 -7,-0.2 -8,-0.1 -0.327 30.8 164.3 -62.7 120.7 41.8 -47.8 -9.6 300 313 A D > - 0 0 65 -2,-0.2 3,-1.9 1,-0.1 -1,-0.0 -0.904 21.7-163.3-135.8 107.4 40.4 -48.6 -13.1 301 314 A P G > S+ 0 0 82 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.807 91.9 56.0 -58.7 -34.2 42.1 -46.6 -15.9 302 315 A D G 3 S+ 0 0 157 1,-0.3 0, 0.0 3,-0.0 0, 0.0 0.283 109.3 46.5 -84.1 8.5 39.2 -47.4 -18.3 303 316 A D G < S+ 0 0 78 -3,-1.9 -1,-0.3 1,-0.1 -3,-0.1 -0.149 87.2 87.2-142.0 33.2 36.6 -45.9 -15.9 304 317 A E < - 0 0 7 -3,-0.9 -1,-0.1 -5,-0.1 -14,-0.0 -0.503 68.1-170.2-132.7 68.8 38.3 -42.6 -15.0 305 318 A P - 0 0 63 0, 0.0 2,-0.2 0, 0.0 -2,-0.0 -0.012 13.8-135.9 -72.7 158.7 37.1 -40.4 -17.8 306 319 A V - 0 0 86 -166,-0.1 2,-0.2 1,-0.1 -169,-0.2 -0.533 25.3-104.4-102.0 173.5 38.2 -36.9 -18.7 307 320 A A - 0 0 14 -170,-0.5 3,-0.1 -171,-0.3 -1,-0.1 -0.605 28.4-102.4 -95.7 158.3 36.0 -33.9 -19.7 308 321 A D - 0 0 116 -2,-0.2 -1,-0.1 -234,-0.2 2,-0.1 -0.312 60.1 -79.8 -57.5 158.6 35.2 -32.2 -22.9 309 322 A P - 0 0 118 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.394 43.6-138.3 -66.4 143.4 37.1 -29.0 -23.5 310 323 A Y - 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